3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one

C16H18N2O2 — CID 46912302

IUPAC3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one
SMILESO=C(CCN(CCO)c1ccccc1)c1ccncc1
InChIInChI=1S/C16H18N2O2/c19-13-12-18(15-4-2-1-3-5-15)11-8-16(20)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-13H2
InChIKeyRMLKUZFYFFACCB-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.15
Rot. Bonds7

About 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one

3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one (PubChem CID 46912302) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one
PubChem CID46912302
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one
SMILESO=C(CCN(CCO)c1ccccc1)c1ccncc1
InChIInChI=1S/C16H18N2O2/c19-13-12-18(15-4-2-1-3-5-15)11-8-16(20)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-13H2
InChIKeyRMLKUZFYFFACCB-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
2-[N-(2-imidazol-1-ylethyl)anilino]ethanol
CID 110881478
3-[bis(2-hydroxyethyl)amino]-N-phenylbenzamide
CID 54334365
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
2-[N-(pyrimidin-5-ylmethyl)anilino]ethanol
CID 99835017
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one (CID 46912302) is 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one is O=C(CCN(CCO)c1ccccc1)c1ccncc1.
What is the InChIKey of 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one?
The InChIKey is RMLKUZFYFFACCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-13-12-18(15-4-2-1-3-5-15)11-8-16(20)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-13H2.
What are the key properties of 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one?
3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-hydroxyethyl)anilino]-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 46912302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).